Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

This paper presents and characterizes Rodinia, a benchmark suite for heterogeneous computing. To help architects study emerging platforms such as GPUs (Graphics Processing Units), Rodinia includes applications and kernels which target multi-core CPU and GPU platforms. The choice of applications is inspired by Berkeley's dwarf taxonomy. Our characterization shows that the Rodinia benchmarks cover a wide range of parallel communication patterns, synchronization techniques and power consumption, and has led to some important architectural insight, such as the growing importance of memory-bandwidth limitations and the consequent importance of data layout.

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Rodinia: A benchmark suite for heterogeneous computing

Emerging challenges and materials for thermal management of electronics

With power density and hence cooling costs rising exponentially, processor packaging can no longer be designed for the worst case, and there is an urgent need for runtime processor-level techniques that can regulate operating temperature when the package's capacity is exceeded. Evaluating such techniques, however, requires a thermal model that is practical for architectural studies.This paper describes HotSpot, an accurate yet fast model based on an equivalent circuit of thermal resistances and capacitances that correspond to microarchitecture blocks and essential aspects of the thermal package. Validation was performed using finite-element simulation. The paper also introduces several effective methods for dynamic thermal management (DTM): "temperature-tracking" frequency scaling, localized toggling, and migrating computation to spare hardware units. Modeling temperature at the microarchitecture level also shows that power metrics are poor predictors of temperature, and that sensor imprecision has a substantial impact on the performance of DTM.

Temperature-aware microarchitecture

This paper presents HotSpot-a modeling methodology for developing compact thermal models based on the popular stacked-layer packaging scheme in modern very large-scale integration systems. In addition to modeling silicon and packaging layers, HotSpot includes a high-level on-chip interconnect self-heating power and thermal model such that the thermal impacts on interconnects can also be considered during early design stages. The HotSpot compact thermal modeling approach is especially well suited for preregister transfer level (RTL) and presynthesis thermal analysis and is able to provide detailed static and transient temperature information across the die and the package, as it is also computationally efficient.

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HotSpot: a compact thermal modeling methodology for early-stage VLSI design

With cooling costs rising exponentially, designing cooling solutions for worst-case power dissipation is prohibitively expensive. Chips that can autonomously modify their execution and power-dissipation characteristics permit the use of lower-cost cooling solutions while still guaranteeing safe temperature regulation. Evaluating techniques for this dynamic thermal management (DTM), however, requires a thermal model that is practical for architectural studies.This paper describes HotSpot, an accurate yet fast and practical model based on an equivalent circuit of thermal resistances and capacitances that correspond to microarchitecture blocks and essential aspects of the thermal package. Validation was performed using finite-element simulation. The paper also introduces several effective methods for DTM: "temperature-tracking" frequency scaling, "migrating computation" to spare hardware units, and a "hybrid" policy that combines fetch gating with dynamic voltage scaling. The latter two achieve their performance advantage by exploiting instruction-level parallelism, showing the importance of microarchitecture research in helping control the growth of cooling costs.Modeling temperature at the microarchitecture level also shows that power metrics are poor predictors of temperature, that sensor imprecision has a substantial impact on the performance of DTM, and that the inclusion of lateral resistances for thermal diffusion is important for accuracy.

/pdf/temperature-aware-microarchitecture-modeling-and-580qmh8lga.pdf

Temperature-aware microarchitecture: Modeling and implementation

Thermal design in sub-100nm technologies is one of the major challenges to the CAD community. In this paper, we first introduce the idea of temperature-aware design. We then propose a compact thermal model which can be integrated with modern CAD tools to achieve a temperature-aware design methodology. Finally, we use the compact thermal model in a case study of microprocessor design to show the importance of using temperature as a guideline for the design. Results from our thermal model show that a temperature-aware design approach can provide more accurate estimations, and therefore better decisions and faster design convergence.

/pdf/compact-thermal-modeling-for-temperature-aware-design-5fm6fe54u5.pdf

Compact thermal modeling for temperature-aware design

Temperature-aware design techniques have an important role to play in addition to traditional techniques like power-aware design and package- and board-level thermal engineering. The authors define the role of architecture techniques and describe hotspot, an accurate yet fast thermal model suitable for computer architecture research.

Wei Huang

Papers

Temperature-aware microarchitecture

HotSpot: a compact thermal modeling methodology for early-stage VLSI design

Temperature-aware microarchitecture: Modeling and implementation

Compact thermal modeling for temperature-aware design

Temperature-aware computer systems: Opportunities and challenges